N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide

C21H18FN3O4 — CID 146084272

IUPACN-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C1CC(N(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)C2CC2)C(=O)N1
InChIInChI=1S/C21H18FN3O4/c22-14-6-4-12(5-7-14)19(27)23-15-3-1-2-13(10-15)21(29)25(16-8-9-16)17-11-18(26)24-20(17)28/h1-7,10,16-17H,8-9,11H2,(H,23,27)(H,24,26,28)
InChIKeyAMNBMEQKCILROG-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.10
Rot. Bonds5

About N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide

N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 146084272) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide
PubChem CID146084272
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC NameN-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C1CC(N(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)C2CC2)C(=O)N1
InChIInChI=1S/C21H18FN3O4/c22-14-6-4-12(5-7-14)19(27)23-15-3-1-2-13(10-15)21(29)25(16-8-9-16)17-11-18(26)24-20(17)28/h1-7,10,16-17H,8-9,11H2,(H,23,27)(H,24,26,28)
InChIKeyAMNBMEQKCILROG-UHFFFAOYSA-N
XLogP2.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23849496
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
CID 119167379
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide (CID 146084272) is N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide is O=C1CC(N(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)C2CC2)C(=O)N1.
What is the InChIKey of N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is AMNBMEQKCILROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c22-14-6-4-12(5-7-14)19(27)23-15-3-1-2-13(10-15)21(29)25(16-8-9-16)17-11-18(26)24-20(17)28/h1-7,10,16-17H,8-9,11H2,(H,23,27)(H,24,26,28).
What are the key properties of N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide?
N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 395.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 146084272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).